15S-Travoprost
Completing data — refresh the page later to see the latest
Basic information
- CAS
340181-93-3- Standard SMILES
CC(C)OC(=O)CCC/C=C\C[C@H]1[C@H](/C=C/[C@H](O)COc2cccc(C(F)(F)F)c2)[C@@H](O)C[C@H]1O- InChIKey
MKPLKVHSHYCHOC-FTZKIZGCSA-N- Molecular formula
- C26H35F3O6
- Average molar mass
- 500.5 g/mol
- Monoisotopic mass
- 500.23857332
Names & identifiers
- Preferred name
- 15S-Travoprost
- IUPAC
- propan-2-yl (Z)-7-[(1S,2S,3S,5R)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]cyclopentyl]hept-5-enoate
- English name
- 5-Heptenoic acid, 7-[(1S,2S,3S,5R)-3,5-dihydroxy-2-[(1E,3S)-3-hydroxy-4-[3-(trifluoroMethyl)phenoxy]-1-buten-1-yl]cyclopentyl]-, 1-Methylethyl ester, (5Z)-
- Molecular formula
- C26H35F3O6
- Molecular weight
- 500.55
Names & synonyms
15S-Travoprost340181-93-3Travoprost Enantiomerisopropyl (Z)-7-((1S,2S,3S,5R)-3,5-dihydroxy-2-((S,E)-3-hydroxy-4-(3-(trifluoromethyl)phenoxy)but-1-en-1-yl)cyclopentyl)hept-5-enoate15S-TravoprosTravoprost Impurity 55Travoprost Impurity 25Travoprost Impurity 15S-travoprost15S-TravoprostQ: What is 15S-Travoprost Q: What is the CAS Number of 15S-Travoprost(5Z)-7-[(1S,2S,3S,5R)-3,5-Dihydroxy-2-[(1E,3S)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]-1-butenyl]cyclopentyl]-5-heptenoic acid 1-methylethyl ester5-Heptenoic acid, 7-[(1S,2S,3S,5R)-3,5-dihydroxy-2-[(1E,3S)-3-hydroxy-4-[3-(trifluoroMethyl)phenoxy]-1-buten-1-yl]cyclopentyl]-, 1-Methylethyl ester, (5Z)-
Database identifiers
- CAS
340181-93-3- PubChem CID
- 124869331
Properties
Computed structural propertiesFilling in
- XLogP
- 4.1
- Topological polar surface area
- 96.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 13
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 693
Physicochemical properties
- Boiling point
- 584.821 · 584.821±50.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.245 · 1.245±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 13.427 · 13.427±0.20(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…